Phenylacetic Acid

Phenylacetic Acid

SCHEMBL8039166

NC1CCCCC1.NCCCC(N)C(=O)O.O=C(O)Cc1ccccc1.O=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.39
MC4R P32245 1/20 0.39
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
ALDH1A1 P00352 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM8 O00222 2/20 0.36
GRM6 O15303 2/20 0.36
GRM4 Q14833 2/20 0.36
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenylacetic Acid SCHEMBL7802488 1.00 CCR5 (0.39) CCR5MC4RGRIK1GRIK2SIGMAR1
Lysine SCHEMBL7800671 0.97 MC4R (0.40) CCR5MC4RGRIK1GRIK2SIGMAR1
Lysine SCHEMBL7800670 0.97 MC4R (0.40) CCR5MC4RGRIK1GRIK2SIGMAR1
Phenylacetic Acid SCHEMBL7801546 0.90 MC4R (0.44) MC4RGRIK1GRIK2SIGMAR1ALDH1A1
Lysine SCHEMBL7803085 0.89 MMP2 (0.43) MC4RGRIK1GRIK2ALDH1A1SMN1; SMN2
Lysine SCHEMBL7803083 0.89 MMP2 (0.43) MC4RGRIK1GRIK2ALDH1A1SMN1; SMN2
Phenylacetic Acid SCHEMBL7801510 0.88 ENPP2 (0.39) MC4RGRIK1GRIK2ALDH1A1EPHX1
Phenylacetic Acid SCHEMBL7801513 0.88 ENPP2 (0.39) MC4RGRIK1GRIK2ALDH1A1EPHX1
Lysine SCHEMBL7803172 0.88 CPB2 (0.40) CCR5ALDH1A1SMN1; SMN2POLBL3MBTL1
Lysine SCHEMBL7803170 0.88 CPB2 (0.40) CCR5ALDH1A1SMN1; SMN2POLBL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed